Chemical Properties of Isophthalic acid, di(2-isopropoxyphenyl) ester

InChI

InChI=1S/C26H26O6/c1-17(2)29-21-12-5-7-14-23(21)31-25(27)19-10-9-11-20(16-19)26(28)32-24-15-8-6-13-22(24)30-18(3)4/h5-18H,1-4H3

InChI Key

MJPAAZKXNHVXHG-UHFFFAOYSA-N

Formula

C26H26O6

SMILES

CC(C)Oc1ccccc1OC(=O)c1cccc(C(=O)Oc2ccccc2OC(C)C)c1

Molecular Weight¹

434.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[455.78; 1050.29]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.88900e+01
Coefficient B			1.83448e+00
Coefficient C			-8.78280e-04
Coefficient D			7.52000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	455.78	J/mol×K	273.00	Calculated Property
Cp,gas	561.29	J/mol×K	353.78	Calculated Property
Cp,gas	656.39	J/mol×K	434.56	Calculated Property
Cp,gas	741.31	J/mol×K	515.33	Calculated Property
Cp,gas	816.28	J/mol×K	596.11	Calculated Property
Cp,gas	881.54	J/mol×K	676.89	Calculated Property
Cp,gas	937.34	J/mol×K	757.67	Calculated Property
Cp,gas	983.90	J/mol×K	838.44	Calculated Property
Cp,gas	1021.47	J/mol×K	919.22	Calculated Property
Cp,gas	1050.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001321; 0.0000153]	Pa×s	[598.72; 906.71]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.52858e+01
Coefficient B			3.80434e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			598.72
Temperature range, max.			906.71
η	0.0001321	Pa×s	598.72	Calculated Property
η	0.0000937	Pa×s	632.94	Calculated Property
η	0.0000689	Pa×s	667.16	Calculated Property
η	0.0000521	Pa×s	701.38	Calculated Property
η	0.0000405	Pa×s	735.60	Calculated Property
η	0.0000322	Pa×s	769.82	Calculated Property
η	0.0000261	Pa×s	804.04	Calculated Property
η	0.0000215	Pa×s	838.27	Calculated Property
η	0.0000180	Pa×s	872.49	Calculated Property
η	0.0000153	Pa×s	906.71	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, di(2-isopropoxyphenyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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